3-cyano-3-[2-(cyclohexen-1-yl)-5-oxidanylidene-cyclopenten-1-yl]-2-methyl-propanoic acid

Systemtic Name: 3-cyano-3-[2-(cyclohexen-1-yl)-5-oxidanylidene-cyclopenten-1-yl]-2-methyl-propanoic acid Openeye Name: 3-cyano-3-[2-(cyclohexen-1-yl)-5-oxo-cyclopenten-1-yl]-2-methyl-propanoic acid CAS Name: 3-cyano-3-[2-(1-cyclohexenyl)-5-oxo-1-cyclopentenyl]-2-methylpropanoic acid IUPAC Name: 3-cyano-3-[2-(cyclohexen-1-yl)-5-oxocyclopenten-1-yl]-2-methylpropanoic acid Traditional Name: 3-cyano-3-[2-(cyclohexen-1-yl)-5-keto-cyclopenten-1-yl]-2-methyl-propionic acid Formula: C16H19NO3 MolecularWeight: 273.32696

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(C#N)C1=C(CCC1=O)C2=CCCCC2)C(=O)O

Isomeric SMILES

CC(C(C#N)C1=C(CCC1=O)C2=CCCCC2)C(=O)O

InChI

InChI=1S/C16H19NO3/c1-10(16(19)20)13(9-17)15-12(7-8-14(15)18)11-5-3-2-4-6-11/h5,10,13H,2-4,6-8H2,1H3,(H,19,20)